SCHEMBL7538898

SCHEMBL7538898

C1=C(c2cccc3[nH]ccc23)CCNC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.66
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
HSD17B10 Q99714 3/20 0.66
DRD2 P14416 1/20 0.66
ALOX15 P16050 1/20 0.66
HTR6 P50406 5/20 0.49
ADRB1 P08588 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 2/20 0.46
HTR1D P28221 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
HTR2A P28223 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL653742 0.79 KDM4E (1.00) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL29379037 0.79 KDM4E (1.00) HTR2CKDM4EALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL9310529 0.76 HTR2C (0.58) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5138820 0.76 HTR2C (0.58) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11134482 0.75 HTR2A (0.53) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL19297061 0.74 HTR2C (0.53) HTR2CKDM4EALDH1A1MAPTHSD17B10
Bromide SCHEMBL9325877 0.74 HTR2C (0.56) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL20540332 0.73 PIK3CD (0.64) HTR6ADRB1MAPK1PIK3CD
SCHEMBL10124857 0.73 CDK9 (0.49) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5008976 0.72 SLC6A4 (0.68) KDM4EHSD17B10ALOX15HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US disclosed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US disclosed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP disclosed
WO-1999067237-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-12-29 WO 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 (1 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use HTR2C, HTR1A, HTR7 HTR2C 1/4885KDM4E 1147/4885ALDH1A1 663/4885

“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.