SCHEMBL1348944

SCHEMBL1348944

OCC(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.64
GAA P10253 7/20 0.64
SI P14410 7/20 0.64
MGAM2 Q2M2H8 7/20 0.64
GPR84 Q9NQS5 3/20 0.62
CYP2D6 P10635 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
KCNH2 Q12809 1/20 0.61
FFAR1 O14842 2/20 0.58
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 3/20 0.54

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
SCHEMBL28519198 0.89 MEN1 (0.66) MGAMGAASIMGAM2GPR84
SCHEMBL5186684 0.87 CYP2D6 (0.67) MGAMGAASIMGAM2GPR84
SCHEMBL7967556 0.86 GPR84 (0.62) MGAMGAASIMGAM2GPR84
SCHEMBL28528875 0.85 MGAM (0.51) MGAMGAASIMGAM2GPR84
SCHEMBL14168804 0.84 GPR84 (0.64) MGAMGAASIMGAM2GPR84
SCHEMBL13253129 0.83 MEN1 (0.74) MGAMGAASIMGAM2GPR84
SCHEMBL27682946 0.83 GPR84 (0.62) MGAMGAASIMGAM2GPR84
SCHEMBL15148952 0.82 MGAM (0.76) MGAMGAASIMGAM2GPR84
SCHEMBL2073813 0.80 CYP2D6 (0.67) MGAMGAASIMGAM2GPR84
SCHEMBL108954 0.80 GPR84 (0.84) MGAMGAASIMGAM2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486228-B2 N-substituted indoles and use as allosteric modulators of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2025-12-02 US disclosed
US-20210355084-A1 N-SUBSTITUTED INDOLES AND USE AS ALLOSTERIC MODULATORS OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2021-11-18 US disclosed
US-20210355084-A1 N-SUBSTITUTED INDOLES AND USE AS ALLOSTERIC MODULATORS OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2021-11-18 US disclosed
EP-3813825-A1 N-SUBSTITUTED INDOLES AND USE AS ALLOSTERIC MODULATORS OF CANNABINOID RECEPTORS Northeastern University (US) 2021-05-05 EP disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-28 US disclosed
CN-102131776-A Substituted 7-sulfanylmethyl, 7-sulfinylmethyl and 7-sulfonylmethyl indoles and use thereof BAYER SCHERING PHARMA AG 2011-07-20 CN disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
CN-1230163-C 2-phenyl-1- [4- (2-aminoethoxy) -benzyl ] -indole in combination with an estrogen AMERICAN HOME PROD (US) 2005-12-07 CN disclosed
US-6924281-B2 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2005-08-02 US disclosed
US-20050026905-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2005-02-03 US disclosed
CN-1326347-A 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole in combination with estrogens AMERICAN HOME PROD (US) 2001-12-12 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-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF STS, HTR7, PCSK7 MGAM 457/4885GAA 944/4885SI 106/4885
US-12486228-B2 N-substituted indoles and use as allosteric modulators of cannabinoid receptors CNR2, CNR1, GPR18 MGAM 2317/4885GAA 3469/4885SI 4277/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT MGAM 735/4885GAA 2822/4885SI 98/4885
US-20210355084-A1 N-SUBSTITUTED INDOLES AND USE AS ALLOSTERIC MODULATORS OF CANNABINOID RECEPTORS CNR2, CNR1, GPR18 MGAM 2317/4885GAA 3469/4885SI 4277/4885
US-20050026905-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, ESR1, GPER1 MGAM 4704/4885GAA 4070/4885SI 3879/4885
US-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 MGAM 1508/4885GAA 1169/4885SI 369/4885

“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.