SCHEMBL8930506

SCHEMBL8930506

C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)Cc3ccccc3)c2)C[C@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.69
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
OPRM1 P35372 1/20 0.66
OPRK1 P41145 1/20 0.66
SIGMAR1 Q99720 1/20 0.66

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 SCHEMBL8930471 0.99 OPRD1 (0.69) OPRD1CYP1A2CYP3A4CYP2C9HPGD
Hydrochloric Acid SCHEMBL8930475 0.99 OPRD1 (0.69) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8930412 0.92 OPRD1 (0.68) OPRD1
SCHEMBL3580035 0.90 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3580032 0.90 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13441419 0.90 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6939432 0.90 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6933168 0.90 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6936138 0.89 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6936142 0.89 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US claimed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US claimed
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS ENTA HOLDING LLC 2008-08-14 US disclosed
US-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS ENTA HOLDING LLC 2008-08-14 US disclosed
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
US-5574159-A DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING DELTA PHARMACEUTICALS, INC. (US) 1996-11-12 US disclosed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US 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-20080193383-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 751/4885CYP3A4 866/4885

“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.