SCHEMBL4826360

SCHEMBL4826360

C[C@H](N)CN1CCc2ccc3ccccc3c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.53
HTR2C P28335 13/20 0.53
HTR2B P41595 11/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
HIF1A Q16665 1/20 0.48
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7498570 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL4822351 1.00 HTR2A (0.53) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL17988784 0.80 MEN1 (0.38) CYP2D6LMNATSHRSLC6A4
SCHEMBL2460600 0.80 ALDH1A1 (0.37) CYP2D6LMNATSHRL3MBTL1
SCHEMBL12969624 0.79 HTR2A (0.49) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL4822367 0.77 ALDH1A1 (0.41) HTR2AHTR2CLMNASLC6A4
SCHEMBL7495949 0.75 HTR2A (0.40) HTR2AHTR2BCYP2D6
SCHEMBL4829069 0.74 ALDH1A1 (0.33) CYP2D6TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL14184489 0.74 HTR2A (0.67) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL6198125 0.74 HTR2C (0.67) HTR2AHTR2CHTR2BCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173056-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-02-06 US claimed
EP-1202964-B1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RES LTD (GB) 2005-10-12 EP claimed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 US claimed
CN-1167681-C Condensed indoline derivatives and their use as 5HT, in particular 5HT2C receptor ligands О 2004-09-22 CN claimed
CN-1379761-A Fused indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESAERCH LTD (GB) 2002-11-13 CN claimed
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands VERNALIS RESEARCH LIMITED 2008-05-29 US disclosed
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands VERNALIS RESEARCH LIMITED 2008-05-29 US disclosed
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands VERNALIS RESEARCH LIMITED 2008-05-29 US disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
US-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-04-17 US disclosed
US-7166632-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-6962939-B1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2005-11-08 US disclosed
EP-1202964-B1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RES LTD (GB) 2005-10-12 EP disclosed
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-08 US disclosed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 US disclosed
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED 2005-08-25 US disclosed
CN-1167681-C Condensed indoline derivatives and their use as 5HT, in particular 5HT2C receptor ligands О 2004-09-22 CN disclosed
CN-1379761-A Fused indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESAERCH LTD (GB) 2002-11-13 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090858-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885
US-20080125455-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, Receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885HTR2B 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.