SCHEMBL666867

SCHEMBL666867

COc1cccc(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.61
ALDH1A1 P00352 2/20 0.61
OPRM1 P35372 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SIGMAR1 Q99720 1/20 0.53
HTR1D P28221 1/20 0.52
KDM4E B2RXH2 1/20 0.51
KCNH2 Q12809 1/20 0.48
CCR3 P51677 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7038207 0.88 HTR1D (0.69) OPRL1ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL667793 0.87 ALDH1A1 (0.61) OPRL1ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL667229 0.85 CCR3 (0.68) OPRL1ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL668316 0.83 ALDH1A1 (0.62) OPRL1ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL4778246 0.82 OPRL1 (0.78) OPRL1OPRM1SIGMAR1CCR3POLB
SCHEMBL667773 0.81 ALDH1A1 (0.65) OPRL1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL666461 0.81 ALDH1A1 (0.62) OPRL1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL668403 0.81 ALDH1A1 (0.62) OPRL1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL666457 0.80 ALDH1A1 (0.70) OPRL1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL4816046 0.79 ALDH1A1 (0.80) OPRL1ALDH1A1OPRM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
EP-2606049-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN Albany Molecular Research, Inc. (US) 2013-06-26 EP disclosed
WO-2012024397-A2 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-23 WO disclosed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 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-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin HTR2B, HTR1B, HTR5A OPRL1 67/4885ALDH1A1 970/4885OPRM1 63/4885

“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.