SCHEMBL2235604

SCHEMBL2235604

CC1(N)CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.55
SLC6A4 P31645 7/20 0.55
SLC6A3 Q01959 7/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
NPC1 O15118 2/20 0.51
CYP2D6 P10635 2/20 0.51
MTOR P42345 2/20 0.51
RAB9A P51151 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
ABCB1 P08183 1/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL8254519 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4288613 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL5348264 0.99 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9843161 0.86 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL17199773 0.84 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8814001 0.82 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL10989854 0.80 HTR2A (0.45) SLC6A2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL5309256 0.79 HTR2A (0.42) SLC6A2SLC6A3MEN1KMT2ACYP3A4
SCHEMBL3363271 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL19775842 0.77 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224159-A1 IMPROVED SYNTHESIS OF RACEMIC SERTRALINE A/S GEA Farmaceutisk Fabrik (DK) 2002-07-24 EP claimed
WO-2001072684-A1 PROCESS FOR THE PREPARATION OF POLYMORPH OF 4-(ARYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE DERIVATIVE SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2001-10-04 WO claimed
WO-2001030742-A1 IMPROVED SYNTHESIS OF RACEMIC SERTRALINE A/S GEA FARMACEUTISK FABRIK (DK) 2001-05-03 WO claimed
EP-0386117-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-09-12 EP claimed
WO-1989003692-A1 TREATING PREMENSTRUAL OR LATE LUTEAL PHASE SYNDROME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-05-05 WO claimed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-7390847-B2 Polymer derivatives for the treatment of metals BASF SE (DE) 2008-06-24 US disclosed
US-20050121114-A1 Polymer derivatives for the treatment of metals BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
WO-2001049638-A2 A PROCESS FOR CONVERTING STEREOISOMERS OF SERTRALINE INTO SERTRALINE SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2001-07-12 WO disclosed
EP-1047666-A1 NOVEL PROCESS FOR PREPARING A KETIMINE Pfizer Products Inc. (US) 2000-11-02 EP disclosed
US-6022522-A DETECTABLY LABELED BICONJUGATE COMPOUND WHICH COMPRISES A MONOCLONAL ANTIBODY AND A TECHTINIUM-99M COUPLED TO A CHELATING AGENT HAVING A RIGID CYCLIC HYDROCARBON BACKBONE OF GIVEN FORMULA, COUPLED TO THE MONOCLONAL ANTIBODY BROOKHAVEN SCIENCE ASSOCIATES (US) 2000-02-08 US disclosed
WO-1999057093-A1 PROCESS FOR THE PREPARATION OF SERTRALINE AND ITS 1,R-STEREOISOMER EGIS Gyógyszergyár Rt. (HU) 1999-11-11 WO disclosed
WO-1999036394-A1 NOVEL PROCESS FOR PREPARING A KETIMINE PFIZER PRODUCTS INC. (US) 1999-07-22 WO disclosed
EP-0575507-A1 PROCESS FOR RECYCLING AMINE ISOMER. PFIZER (US) 1993-12-29 EP disclosed
WO-1992015552-A1 PROCESS FOR RECYCLING AMINE ISOMER PFIZER INC. (US) 1992-09-17 WO disclosed
EP-0295050-A1 Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-12-14 EP 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-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG SLC6A2 3985/4885SLC6A4 3984/4885SLC6A3 3581/4885

“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.