SCHEMBL165883

SCHEMBL165883

C1CNCC2(C1)CCCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.42
CYP3A4 P08684 8/20 0.42
ALDH1A1 P00352 8/20 0.42
CYP1A2 P05177 5/20 0.42
USP2 O75604 4/20 0.42
HSD17B10 Q99714 5/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 4/20 0.38
CYP2C19 P33261 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2A P28223 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KA5 O75582 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34

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 SCHEMBL10621465 0.97 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
Water SCHEMBL6402454 0.97 CYP3A4 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL5438785 0.94 ALDH1A1 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL26017608 0.94 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL31049944 0.94 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL450925 0.94 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL1796659 0.90
SCHEMBL16878844 0.90 SMN1; SMN2 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL16877916 0.90 ALDH1A1 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL1793924 0.90 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP claimed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US claimed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO claimed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-1680359-A1 ZEOLITE SYNTHESIS WITH DIRECTING AGENTS WITH APPROXIMATELY PERPENDICULAR GROUPS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2006-07-19 EP claimed
WO-2005037713-A1 ZEOLITE SYNTHESIS WITH DIRECTING AGENTS WITH APPROXIMATELY PERPENDICULAR GROUPS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-04-28 WO claimed
US-20050084446-A1 Zeolite synthesis with directing agents with approximately perpendicular groups SCHMITT KIRK D (US) 2005-04-21 US claimed
US-20250276981-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. 2025-09-04 US disclosed
EP-3743425-B1 2,8-DIACYL-2,8-DIAZASPIRO[5.5]UNDECANE COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2024-11-27 EP disclosed
US-20240287091-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. 2024-08-29 US disclosed
EP-3945091-B1 NOVEL VDAC1 INHIBITORS ABARCEO AB (SE) 2024-01-03 EP disclosed
EP-3992196-B1 1H-[1, 2, 3]TRIAZOLO[4, 5-H] QUINAZOLINE COMPOUNDS ACTING AS PROTEIN KINASE INHIBITORS CHENGDU CYNOGEN BIO PHARMACEUTICAL TECH CO LTD (CN) 2023-12-13 EP disclosed
US-20230348464-A1 NOVEL VDAC1 INHIBITORS ABARCEO PHARMA AB (SE) 2023-11-02 US disclosed
US-6956042-B2 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2005-10-18 US disclosed
WO-2005037713-A1 ZEOLITE SYNTHESIS WITH DIRECTING AGENTS WITH APPROXIMATELY PERPENDICULAR GROUPS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-04-28 WO disclosed
US-20050084446-A1 Zeolite synthesis with directing agents with approximately perpendicular groups SCHMITT KIRK D (US) 2005-04-21 US disclosed
EP-1519939-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept, Inc. (US) 2005-04-06 EP disclosed
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TARGACEPT, INC. 2004-04-08 US disclosed
WO-2004005293-A2 N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2004-01-15 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 (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-20240287091-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS BCL6, BCL6B, BCOR CYP2D6 363/4885CYP3A4 701/4885ALDH1A1 512/4885
US-20250276981-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS BCL6, BCL6B, BCOR CYP2D6 363/4885CYP3A4 701/4885ALDH1A1 512/4885
US-20230348464-A1 NOVEL VDAC1 INHIBITORS VDAC1, HVCN1, VDAC2 CYP2D6 3193/4885CYP3A4 2148/4885ALDH1A1 1308/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CYP2D6 1847/4885CYP3A4 2444/4885ALDH1A1 1273/4885
US-20040067930-A1 N-aryl diazaspiracyclic compounds and methods of preparation and use thereof TNNC1, ACHE, CHRNA6 CYP2D6 37/4885CYP3A4 140/4885ALDH1A1 1337/4885

“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.