Sugi Predict

Sugi Predict / Compounds / SCHEMBL895460

SCHEMBL895460

SCHEMBL895460

NCCCc1ccc(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ DAO P14920 2/20 0.43
▸ TAAR1 Q96RJ0 5/20 0.43
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ PNMT P11086 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ DRD1 P21728 1/20 0.39

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
SCHEMBL631580 0.86 TAAR1 (0.58) CYP2D6CYP1A2CYP2C19DAOTAAR1
Hydrochloric Acid SCHEMBL1585557 0.84 TAAR1 (0.56) CYP2D6CYP1A2TAAR1ALDH1A1CYP2A6
SCHEMBL16105820 0.83 DAO (0.55) DAOTAAR1MAOAALDH1A1HTT
SCHEMBL23413337 0.83 ALDH1A1 (0.46) CYP2D6CYP1A2CYP2C19TAAR1MAOA
SCHEMBL3246622 0.81 DAO (0.46) CYP2D6DAOTAAR1MAOAALDH1A1
SCHEMBL20019811 0.81 TAAR1 (0.53) CYP2D6CYP1A2CYP2C19DAOTAAR1
SCHEMBL6341558 0.81 TAAR1 (0.53) CYP2D6CYP1A2CYP2C19TAAR1MAOA
SCHEMBL15787307 0.81 SLC6A2 (0.55) CYP2D6CYP1A2CYP2C19DAOTAAR1
SCHEMBL6564877 0.81 CYP2D6 (0.41) CYP2D6CYP1A2CYP2C19TAAR1MAOA
SCHEMBL12524051 0.81 ALOX15 (0.53) CYP2D6CYP1A2TAAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582906-B Difluoro benzphetamine compound and preparation method and application thereof 郑州大学 2023-05-16 — — CN claimed
CN-113582906-A Difluorophenyl ring propylamine compound and preparation method and application thereof 郑州大学 2021-11-02 — — CN claimed
EP-4265300-A2 COMBINATION Novartis AG (CH) 2023-10-25 — — EP disclosed
CN-113582906-B Difluoro benzphetamine compound and preparation method and application thereof 郑州大学 2023-05-16 — — CN disclosed
CN-113582906-B Difluoro benzphetamine compound and preparation method and application thereof 郑州大学 2023-05-16 — — CN disclosed
CN-109336829-B Aryl formamide compound containing 1,2, 3-triazole structure and application thereof 沈阳药科大学 2022-03-01 — — CN disclosed
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 — — EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 — — US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 — — US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 — — US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 — — US disclosed
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 — — EP disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 — — US disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 — — WO disclosed
EP-1286975-B1 BICLYCLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-08-24 — — EP disclosed
US-6794402-B2 Bicyclic cyclohexylamines and their use as NMDA receptor antagonists WARNER-LAMBERT COMPANY 2004-09-21 — — US disclosed
US-20030236252-A1 Bicyclic cyclohexylamines and their use as nmda receptor antagonists NIKAM SHAM SHRIDHAR (US) 2003-12-25 — — US disclosed
CN-1438996-A Bicyclic cyclohexylamines and their use NMDA receptor antogonists WARNER LAMBERT CO (US) 2003-08-27 — — CN disclosed
EP-1286975-A1 BICLYCLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-03-05 — — EP disclosed
WO-2001092239-A1 BICICLIC CYCLOHEXYLAMINES AND THEIR USE AS NMDA RECEPTOR ANTOGONISTS WARNER-LAMBERT COMPANY (US) 2001-12-06 — — 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 (4 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CYP2D6 459/4885CYP1A2 490/4885CYP2C19 467/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CYP2D6 459/4885CYP1A2 490/4885CYP2C19 467/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CYP2D6 459/4885CYP1A2 490/4885CYP2C19 467/4885
US-20030236252-A1 Bicyclic cyclohexylamines and their use as nmda receptor antagonists GRIN1, GRIN2C, GRIN2A CYP2D6 1622/4885CYP1A2 2759/4885CYP2C19 1042/4885

“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.