SCHEMBL166845

SCHEMBL166845

OCCCCN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.57
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
GNAI3 P08754 3/20 0.39
GNAO1 P09471 3/20 0.39
GNAI1 P63096 3/20 0.39
KDM1A O60341 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL21581264 0.98 CXCR4 (0.61) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL21581271 0.98 CXCR4 (0.61) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL1409001 0.98 CXCR4 (0.61) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6959691 0.98 CXCR4 (0.55) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL1408768 0.98 CXCR4 (0.61) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL12003 0.93 CXCR4 (0.56) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL11443013 0.93 CXCR4 (0.56) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL29943537 0.91 CXCR4 (0.54) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
Piperazine SCHEMBL28092893 0.91 CXCR4 (0.59) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10
SCHEMBL8714265 0.91 CXCR4 (0.59) CXCR4SIGMAR1POLBSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771403-B2 Method and system for capturing carbon dioxide and/or sulfur dioxide from gas stream THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-08 US claimed
CN-103221114-A Method and system for capturing carbon dioxide and/or sulfur dioxide from gas streams UNIV CALIFORNIA 2013-07-24 CN claimed
WO-2012030630-A1 METHOD AND SYSTEM FOR CAPTURING CARBON DIOXIDE AND/OR SULFUR DIOXIDE FROM GAS STREAM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 WO claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
EP-1773860-A4 METHODS FOR IDENTIFYING RISK OF TYPE II DIABETES AND TREATMENTS THEREOF SEQUENOM INC (US) 2009-05-06 EP claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US claimed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 US claimed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP claimed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 WO claimed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US claimed
EP-0251905-B1 Esters of alginic acid FIDIA SPA (IT) 1994-11-02 EP claimed
EP-0609968-A2 Compositions comprising partial esters of alginic acid FIDIA S.p.A. (IT) 1994-08-10 EP claimed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP claimed
EP-0099148-B1 PIPERAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM GIST-BROCADES N.V. (NL) 1988-02-17 EP claimed
EP-0251905-A2 Esters of alginic acid FIDIA S.p.A. (IT) 1988-01-07 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CXCR4 36/4885SIGMAR1 158/4885POLB 2260/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 CXCR4 21/4885SIGMAR1 183/4885POLB 1660/4885

“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.