SCHEMBL326538

SCHEMBL326538

Clc1cccc(Cl)c1CCBr

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
AKR1B1 P15121 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PNMT P11086 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2A13 Q16696 1/20 0.36
DPP4 P27487 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
SCHEMBL3119457 0.85 TAAR1 (0.54) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL5282541 0.83 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL673238 0.83 TAAR1 (0.70) TAAR1AKR1B1SMN1; SMN2PNMTCYP1A2
SCHEMBL18007013 0.81 TAAR1 (0.50) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL4500755 0.78 TSHR (0.53) TAAR1AKR1B1SMN1; SMN2CYP1A2LMNA
SCHEMBL9770 0.78 TAAR1 (0.50) TAAR1AKR1B1SMN1; SMN2PNMTCYP1A2
SCHEMBL10830911 0.77 TAAR1 (0.34) TAAR1PNMTTDP1CYP2A6
SCHEMBL5739265 0.77 ALDH1A1 (0.52) AKR1B1SMN1; SMN2TDP1CYP1A2LMNA
SCHEMBL3126913 0.76 TAAR1 (0.61) TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL11029873 0.76 TAAR1 (0.48) TAAR1AKR1B1SMN1; SMN2PNMTCYP1A2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2020-10-20 US disclosed
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2019-07-18 US disclosed
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators ABBVIE B.V. (NL) 2019-01-15 US disclosed
US-9951084-B2 Spiro-cyclic amine derivatives as S1P modulators Abb Vie B.V. (NL) 2018-04-24 US disclosed
EP-3144312-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie B.V. (NL) 2017-03-22 EP disclosed
EP-2590955-B9 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-02-22 EP disclosed
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-24 US disclosed
EP-2590955-B1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2016-10-12 EP disclosed
CN-1106385-C Substituted 4-benzoyl-pyrazoles BASF AG (DE) 2003-04-23 CN disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
CN-1255115-A Substituted 2-(3-alkenyl-benzoyl)-cyclohexane-1,3-diones BASF AG (DE) 2000-05-31 CN disclosed
CN-1247532-A Substituted 4-benzoylpyrazoles BASF AG (DE) 2000-03-15 CN disclosed
CN-1245487-A Herbicidal 3-aminocarbonyl-or 3-aminothiocarbonyl-substituted 2-benzoylcyclohexane-1, 3-diones BASF AG (DE) 2000-02-23 CN disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO disclosed
CN-1216534-A Novel heterocyclic substituted benzene derivatives and herbicides NIPPON SODA CO (JP) 1999-05-12 CN disclosed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed
CN-88101455-A Pyrazole derivatives and herbicides containing the same 1988-09-28 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 TAAR1 22/4885AKR1B1 91/4885SMN1; SMN2 3210/4885
US-20190218227-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 TAAR1 21/4885AKR1B1 86/4885SMN1; SMN2 3140/4885
US-10807991-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 TAAR1 22/4885AKR1B1 91/4885SMN1; SMN2 3210/4885
US-20160340363-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 TAAR1 21/4885AKR1B1 86/4885SMN1; SMN2 3140/4885
US-10179791-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR3, S1PR1, S1PR2 TAAR1 39/4885AKR1B1 761/4885SMN1; SMN2 3412/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 TAAR1 22/4885AKR1B1 91/4885SMN1; SMN2 3210/4885

“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.