SCHEMBL8526314

SCHEMBL8526314

CN(C)c1ccc2c(c1)CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 3/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
TSHR P16473 1/20 0.37
CA12 O43570 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
SCHEMBL12061623 0.89 MAPT (0.67) DRD2DRD4KDM4EALDH1A1ALOX15
Hydrochloric Acid SCHEMBL12004260 0.87 MAPT (0.69) DRD2DRD4KDM4EALDH1A1ALOX15
SCHEMBL5871312 0.85 GFER (0.43) DRD2DRD4KDM4EALDH1A1ALOX15
SCHEMBL9093928 0.80 ALDH1A1 (0.79) DRD2DRD4KDM4EALDH1A1ALOX15
SCHEMBL19520806 0.78 ALDH1A1 (0.61) DRD2DRD4KDM4EALDH1A1ALOX15
SCHEMBL1432600 0.75 PARP10 (0.63)
SCHEMBL19520909 0.75 ALDH1A1 (0.58) DRD2DRD4KDM4EALDH1A1ALOX15
SCHEMBL2577433 0.74 HTR2C (0.53) DRD2ADRA2AADRA2BADRA2CHRH3
SCHEMBL3523161 0.74 KDM4E (0.50) KDM4EALDH1A1ALOX15MAPTHSD17B10
SCHEMBL20943717 0.74 ALDH1A1 (0.57) DRD2DRD4KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127345-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-02 US claimed
WO-2017189700-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 WO claimed
WO-2023011657-A1 METHOD FOR DETECTING AND QUANTIFYING RNA 纳莹(上海)生物科技有限公司 2023-02-09 WO disclosed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed
WO-1996011929-A1 BIHETEROARYL-CARBONYL AND CARBOXAMIDE DERIVATIVES WITH 5HT 2C/2B ANTAGONISTS ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO disclosed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP disclosed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 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-20190127345-A1 NEGATIVE PHOTOCHROMIC MATERIALS WITH TUNABLE PROPERTIES ALKBH2, YTHDF2, ANXA2 DRD2 302/4885DRD4 155/4885KDM4E 488/4885

“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.