SCHEMBL21777640

SCHEMBL21777640

Clc1ccc2c(c1)COC21CNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 2/20 0.42
PNMT P11086 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
AVPR1A P37288 4/20 0.36
OXTR P30559 1/20 0.36
AHR P35869 2/20 0.35
CMA1 P23946 1/20 0.35
KDM1A O60341 1/20 0.33
SRD5A1 P18405 1/20 0.33
HTR3A P46098 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 1/20 0.33
HTR7 P34969 1/20 0.33
HTR5A P47898 1/20 0.33

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
SCHEMBL1275908 0.83 HTR2C (0.47) HTR2CHTR2AHTR2BPNMTKEAP1
SCHEMBL31393901 0.81 AVPR1A (0.42) HTR2CHTR2AHTR2BKEAP1NFE2L2
SCHEMBL29190476 0.79 SLC6A4 (0.41) KEAP1NFE2L2AVPR1AOXTRKDM1A
SCHEMBL16939880 0.79 AVPR1A (0.36) AVPR1AADRA2AHTR5A
SCHEMBL30098011 0.79 PNMT (0.40) HTR2CHTR2AHTR2BPNMTAHR
SCHEMBL15505712 0.79 PNMT (0.40) HTR2CHTR2AHTR2BPNMTAHR
Hydrochloric Acid SCHEMBL19616590 0.78 PNMT (0.39) HTR2CHTR2AHTR2BPNMTAHR
SCHEMBL24842401 0.76 CD274 (0.36)
SCHEMBL24203802 0.76 ATM (0.40) KEAP1NFE2L2AVPR1AOXTRKDM1A
SCHEMBL24203780 0.76 AVPR1A (0.44) KEAP1NFE2L2AVPR1AOXTRKDM1A

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-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-05-17 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
EP-3843742-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-07-07 EP disclosed
WO-2020047082-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Eternity Bioscience Inc. (US) 2020-03-05 WO disclosed
WO-2020047082-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Eternity Bioscience Inc. (US) 2020-03-05 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 (2 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-20210253621-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF ENTPD5, ENTPD1, NT5E HTR2C 3129/4885HTR2A 2451/4885HTR2B 2342/4885
US-11332492-B2 CD73 inhibitors and therapeutic uses thereof ENTPD5, ENTPD1, NT5E HTR2C 3129/4885HTR2A 2451/4885HTR2B 2342/4885

“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.