SCHEMBL4962307

SCHEMBL4962307

Clc1ccc(CBr)cc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ IDO1 P14902 3/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PNMT P11086 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ CCR2 P41597 2/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL7004001 0.85 CYP3A4 (0.39) SIGMAR1TDP1CYP3A4ALDH1A1TSHR
SCHEMBL6202629 0.85 GRM2 (0.39) SIGMAR1TDP1CYP3A4SLC6A2SLC6A4
SCHEMBL7415633 0.84 SIGMAR1 (0.46) SIGMAR1TDP1CYP3A4IDO1SLC6A2
SCHEMBL10128 0.82 IDO1 (0.58) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL29413271 0.82 IDO1 (0.58) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL1964765 0.80 IDO1 (0.56) SIGMAR1IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL30705746 0.78 TRPA1 (0.59) TDP1CYP3A4ALDH1A1TSHRTAAR1
SCHEMBL19678032 0.77 ALDH1A1 (0.52) TDP1CYP3A4ALDH1A1TSHRTRPA1
SCHEMBL1138241 0.76 CYP1A2 (0.47) SIGMAR1TDP1CYP3A4SLC6A2SLC6A4
Benzyl Bromide SCHEMBL1043932 0.76 TSHR (0.70) TDP1CYP3A4IDO1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-04-23 — — US disclosed
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 — — US disclosed
WO-2015193921-A1 AN ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-23 — — WO disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 — — EP disclosed
EP-1680408-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 — — EP disclosed
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 — — US disclosed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 — — EP disclosed
WO-2005040129-A2 CCR3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — WO disclosed
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists ROCHE PALO ALTO LLC 2005-04-28 — — US disclosed
US-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists GONG LEYI (US) 2004-12-30 — — US disclosed
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists ROCHE BIOSCIENCE 2003-08-14 — — US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 — — US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 — — US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 — — US disclosed
EP-1131290-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 — — EP disclosed
EP-1131291-A1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 — — EP disclosed
US-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 — — US disclosed
WO-2000031033-A1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 — — WO disclosed
WO-2000029377-A1 4-AROYL-PIPERIDIN-CCR-3 RECEPTOR ANTAGONISTS III F. HOFFMANN-LA ROCHE AG (CH) 2000-05-25 — — WO disclosed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 — — 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 (5 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-20040266782-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 SIGMAR1 309/4885TDP1 4161/4885CYP3A4 3352/4885
US-10266481-B2 Organocatalytic asymmetric synthesis of antidepressants TPH1, NAT1, TPH2 SIGMAR1 22/4885TDP1 454/4885CYP3A4 144/4885
US-20030153577-A1 Cyclic amine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 SIGMAR1 309/4885TDP1 4161/4885CYP3A4 3352/4885
US-20050090504-A1 Piperidinyl and piperazinyl compounds substituted with bicyclo-heterocyclylalkyl groups useful as CCR3 receptor antagonists CCR9, CCR3, CCR1 SIGMAR1 589/4885TDP1 4852/4885CYP3A4 3341/4885
US-20170158607-A1 ORGANOCATALYTIC ASYMMETRIC SYNTHESIS OF ANTIDEPRESSANTS TPH1, NAT1, TPH2 SIGMAR1 22/4885TDP1 454/4885CYP3A4 144/4885

“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.

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