SCHEMBL1765128

SCHEMBL1765128

Fc1cccc(F)c1C1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.67
SLC6A2 P23975 10/20 0.67
SLC6A4 P31645 10/20 0.67
SLC6A3 Q01959 8/20 0.67
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ABCB1 P08183 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR2C P28335 7/20 0.44

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 SCHEMBL6075201 0.98 HTR1A (0.65) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL30852165 0.87 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3ABCB1
SCHEMBL4706866 0.87 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL4543397 0.87 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL3466215 0.87 HTR1A (0.58) HTR1ASLC6A2SLC6A4SLC6A3ABCB1
Hydrochloric Acid SCHEMBL5425882 0.85 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
Hydrochloric Acid SCHEMBL3468162 0.85 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3ABCB1
SCHEMBL17229880 0.84 HTR2C (0.58) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL10994234 0.84 ABCB1 (0.60) HTR1ASLC6A2SLC6A4SLC6A3ABCB1
SCHEMBL5020016 0.82 HTR1A (0.70) HTR1ASLC6A2SLC6A4SLC6A3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 US disclosed
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-102753538-B Sultam derivatives HOFFMANN LA ROCHE 2015-04-08 CN disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
WO-2005117882-A2 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS INCYTE CORPORATION (US) 2005-12-15 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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER CSNK2A1, IDO1, CSNK2A3 HTR1A 448/4885SLC6A2 2320/4885SLC6A4 1375/4885
US-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 HTR1A 377/4885SLC6A2 437/4885SLC6A4 211/4885
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 HTR1A 41/4885SLC6A2 177/4885SLC6A4 138/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 HTR1A 1338/4885SLC6A2 953/4885SLC6A4 444/4885

“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.