SCHEMBL2814660

SCHEMBL2814660

Cc1ccc2[nH]c3c(c2c1)C1CCCC(C3)N1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
HTR6 P50406 1/20 0.51
MCHR1 Q99705 1/20 0.46
RB1 P06400 4/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
SIRT1 Q96EB6 3/20 0.36
RECQL P46063 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL2814203 0.92 SIGMAR1 (0.71) SIGMAR1HTR6MCHR1RB1ALDH1A1
Hydrochloric Acid SCHEMBL31020951 0.90 SIGMAR1 (0.69) SIGMAR1HTR6MCHR1RB1ALDH1A1
Hydrochloric Acid SCHEMBL23828310 0.90 SIGMAR1 (0.69) SIGMAR1HTR6MCHR1RB1ALDH1A1
SCHEMBL7415387 0.84 SIGMAR1 (0.85) SIGMAR1HTR6
SCHEMBL7409377 0.80 SIGMAR1 (0.83) SIGMAR1HTR6MCHR1RB1
SCHEMBL2815101 0.78 SIGMAR1 (0.56) SIGMAR1HTR6MCHR1KDM4E
SCHEMBL7406069 0.75 SIGMAR1 (1.00) SIGMAR1HTR6MCHR1
SCHEMBL15064953 0.75 SIGMAR1 (0.66) SIGMAR1HTR6MCHR1
SCHEMBL2811337 0.73 SIGMAR1 (0.59) SIGMAR1MCHR1L3MBTL1
SCHEMBL989902 0.72 MCHR1 (0.42) SIGMAR1HTR6MCHR1RB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US 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 (4 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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885MCHR1 127/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885MCHR1 127/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885MCHR1 127/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIGMAR1 556/4885HTR6 21/4885MCHR1 127/4885

“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.