SCHEMBL6449648

SCHEMBL6449648

COc1cccc(C(C)C)c1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CD69 Q07108 2/20 0.45
LPAR1 Q92633 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ADRA1D P25100 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9474040 0.87 KMT2A (0.55) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL6744642 0.85 SMN1; SMN2 (0.70) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL6743332 0.80 POLB (0.62) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL31552456 0.79 SMN1; SMN2 (0.71) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL4808600 0.79 L3MBTL1 (0.66) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL7824239 0.78 KDM4E (0.60) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL6745272 0.78 SMN1; SMN2 (0.60) POLBSMN1; SMN2L3MBTL1GLAKMT2A
SCHEMBL13408063 0.78 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1KMT2AMEN1ADRA1A
SCHEMBL7837551 0.77 KMT2A (0.61) POLBL3MBTL1KMT2AMEN1ADRA1A
SCHEMBL18702949 0.77 SMN1; SMN2 (0.58) POLBSMN1; SMN2L3MBTL1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177190-B1 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI CHEM PHARM (IT) 2005-11-02 EP disclosed
US-6953800-B2 Use of selective antagonists of the α1B-adrenergic receptor for improvement of sexual dysfunction RECORDATI S.A. CHEMICAL (CH) 2005-10-11 US disclosed
US-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction RECORDATI S.A. 2002-10-31 US disclosed
EP-1177190-A2 USE OF SELECTIVE ANTAGONISTS OF THE ALPHA 1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-02-06 EP disclosed
US-6303606-B1 FOR THERAPY OF SEXUAL DISORDERS RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-16 US disclosed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP disclosed
WO-2000067735-A2 USE OF SELECTIVE ANTAGONISTS OF THE α1b-ADRENERGIC RECEPTOR FOR IMPROVEMENT OF SEXUAL DYSFUNCTION RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2000-11-16 WO disclosed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US disclosed
EP-0750614-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1997-01-02 EP disclosed
WO-1995025726-A1 QUINAZOLINYL-AMINO DERIVATIVES HAVING α-ANTAGONIST ACTIVITY RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-09-28 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 (1 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-20020161009-A1 Use of selective antagonists of the alpha1b-adrenergic receptor for improvement of sexual dysfunction ADRA1B, ADRA2B, ADRB2 POLB 2529/4885SMN1; SMN2 1423/4885L3MBTL1 2916/4885

“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.