SCHEMBL2236609

SCHEMBL2236609

CN(C)CCCCN1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.52
SIGMAR1 Q99720 3/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
GNAO1 P09471 5/20 0.40
GNAI3 P08754 4/20 0.40
GNAI1 P63096 4/20 0.40
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL165923 0.94 CXCR4 (0.50) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL19410287 0.92 CXCR4 (0.48) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL21812908 0.92 CXCR4 (0.48) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL12501275 0.86 CXCR4 (0.63) CXCR4SIGMAR1POLBSMN1; SMN2ALOX15
SCHEMBL2912801 0.85 ALDH1A1 (0.45) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
SCHEMBL19604 0.85 ALDH1A1 (0.45) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6151027 0.83 ALDH1A1 (0.44) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Piperazine SCHEMBL27980522 0.83 CXCR4 (0.47) CXCR4SIGMAR1POLBSMN1; SMN2ALDH1A1
Carbamic Acid SCHEMBL8817104 0.82 SIGMAR1 (0.41) CXCR4SIGMAR1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL8614873 0.82 CXCR4 (0.70) CXCR4SIGMAR1POLBSMN1; SMN2GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2212363-A1 METHOD FOR PRODUCING CELLULAR POLYURETHANE (PURE) CAST ELASTOMERS FROM SHELF-STABLE 1,5-NAPHTHALENE DIISOCYANATE (NDI) PREPOLYMERS Bayer MaterialScience AG (DE) 2010-08-04 EP disclosed
WO-2009062672-A1 METHOD FOR PRODUCING CELLULAR POLYURETHANE (PURE) CAST ELASTOMERS FROM SHELF-STABLE 1,5-NAPHTHALENE DIISOCYANATE (NDI) PREPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2009-05-22 WO disclosed
EP-1379568-A1 CELLULAR POLYISOCYANATE POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-14 EP disclosed
WO-2002081537-A1 CELLULAR POLYISOCYANATE POLYADDITION PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 2002-10-17 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-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C CXCR4 2075/4885SIGMAR1 1269/4885POLB 930/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CXCR4 220/4885SIGMAR1 606/4885POLB 2370/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CXCR4 210/4885SIGMAR1 561/4885POLB 2675/4885

“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.