SCHEMBL6860104

SCHEMBL6860104

COc1cccc(Cc2ccccc2C2(O)CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
ALDH1A1 P00352 1/20 0.53
OPRL1 P41146 3/20 0.52
CCR8 P51685 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
POLB P06746 1/20 0.46
OPRK1 P41145 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL11206162 0.85 OPRL1 (0.65) SIGMAR1ALDH1A1OPRL1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11199734 0.84 OPRL1 (0.64) SIGMAR1ALDH1A1OPRL1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9312362 0.83 ALDH1A1 (0.68) SIGMAR1ALDH1A1OPRL1CCR8L3MBTL1
SCHEMBL4816046 0.79 ALDH1A1 (0.80) SIGMAR1ALDH1A1OPRL1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL6288091 0.78 ALDH1A1 (0.78) SIGMAR1ALDH1A1OPRL1L3MBTL1KMT2A
SCHEMBL3081018 0.78 ALDH1A1 (0.60) SIGMAR1ALDH1A1OPRL1L3MBTL1KMT2A
SCHEMBL350525 0.78 OPRL1 (0.65) SIGMAR1ALDH1A1OPRL1KMT2AKDM4E
SCHEMBL11195174 0.78 OPRL1 (0.77) SIGMAR1ALDH1A1OPRL1KMT2AKDM4E
SCHEMBL664827 0.77 CCR3 (0.58) SIGMAR1ALDH1A1OPRL1CCR8KMT2A
Hydrochloric Acid SCHEMBL11194779 0.77 ALDH1A1 (0.59) SIGMAR1ALDH1A1OPRL1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806283-B2 SUCH AS SPIRO(9,10-DIHYDROANTHRACENE)-9,3'-PYRROLIDINE; FOR USE AS ANTIDEPRESSANT AND ANTIANXIETY AGENTS VIRGINIA COMMONWEALTH UNIVERSITY 2004-10-19 US disclosed
US-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 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-20030232872-A1 Selective serotonin receptor antagonists and therapeutic applications thereof HTR2A, HTR7, HTR1A SIGMAR1 114/4885ALDH1A1 1660/4885OPRL1 68/4885

“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.