SCHEMBL6588923

SCHEMBL6588923

C1=C(c2cccc3ccoc23)CCNC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.51
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
QDPR P09417 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
KHK P50053 1/20 0.38

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
Hydrochloric Acid SCHEMBL9934106 0.76 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL8322515 0.76 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL5138820 0.74 HTR2C (0.58) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9310529 0.74 HTR2C (0.58) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL6816720 0.74 HTR2C (0.43) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Bromide SCHEMBL9325877 0.73 HTR2C (0.56) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6335321 0.71 GSK3A (0.33) HTR2CHTR2AHTR2BCCNT1CDK9
Hydrochloric Acid SCHEMBL9934109 0.71 HTR2C (0.49) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9933989 0.71 HTR2C (0.43) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL15379330 0.70 HTR2C (0.47) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 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 (2 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 HTR2C 18/4885SIGMAR1 349/4885KDM4E 2331/4885
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use TPH1, HTR1A, HTR3A HTR2C 7/4885SIGMAR1 84/4885KDM4E 2383/4885

“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.