SCHEMBL4400626

SCHEMBL4400626

O=C1CCCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
ALOX5 P09917 3/20 0.35
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ACHE P22303 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
GOPC Q9HD26 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM3 P20309 2/20 0.31
RIPK1 Q13546 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Chlorotriphenylmethane SCHEMBL8598442 0.92 CYP2B6 (0.37) CYP2B6ALOX5CYP1A2
SCHEMBL1528523 0.89 CYP2B6 (0.36) CYP2B6ALOX5ALOX15MEN1NPC1
SCHEMBL9136294 0.86 CYP2B6 (0.42) CYP2B6ALOX5ALDH1A1HSD17B10L3MBTL1
SCHEMBL3744280 0.77 CYP2B6 (0.38) CYP2B6ALOX5ALDH1A1ALOX15CFTR
SCHEMBL27753492 0.76 CYP2B6 (0.54) CYP2B6ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL2392136 0.76 CYP2B6 (0.59) CYP2B6ALDH1A1KDM4ECYP1A2CHRM3
SCHEMBL5375293 0.74
SCHEMBL2491599 0.74 CYP2B6 (0.63) CYP2B6KDM4ECYP1A2TDP1CHRM3
SCHEMBL19296941 0.74 CYP2B6 (0.63) CYP2B6KDM4ECYP1A2TDP1CHRM3
SCHEMBL9650536 0.71 CYP2B6 (0.46) CYP2B6ALDH1A1KDM4ECHRM3LMNA

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-20250206884-A1 ULTRAVIOLET RADIATION-CURABLE POLYSILOXANE COMPOSITION, AND DAMPING MATERIAL TAICA CORPORATION (JP) 2025-06-26 US disclosed
CN-118974144-A Ultraviolet-curable polysiloxane composition and damping material 株式会社泰已科 2024-11-15 CN disclosed
WO-2023189433-A1 ULTRAVIOLET RADIATION-CURABLE POLYSILOXANE COMPOSITION, AND DAMPING MATERIAL 株式会社タイカ 2023-10-05 WO disclosed
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 CN disclosed
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
EP-1554256-A4 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-06-13 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP disclosed
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 CN disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
CN-1205693-A Quinoline and quinazoline compounds useful in therapy PFIZER RES & DEV (IE) 1999-01-20 CN disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 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 (3 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CYP2B6 408/4885ALOX5 495/4885ALDH1A1 686/4885
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B CYP2B6 198/4885ALOX5 3602/4885ALDH1A1 514/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 CYP2B6 151/4885ALOX5 4348/4885ALDH1A1 420/4885

“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.