SCHEMBL12377900

SCHEMBL12377900

CCC1CCN(c2cccnc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.60
▸ CHRNB2 P17787 6/20 0.51
▸ CHRNA4 P43681 6/20 0.51
▸ CHRNB4 P30926 3/20 0.51
▸ CHRNA3 P32297 3/20 0.51
▸ GPR119 Q8TDV5 1/20 0.49
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KHK P50053 1/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ CHRND Q07001 1/20 0.46

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
SCHEMBL17297914 0.92 HRH3 (0.56) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30462025 0.85 HRH3 (0.62) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26627810 0.85 HRH3 (0.62) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17297770 0.84 HRH3 (0.58) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24671758 0.84 HRH3 (0.60) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29691048 0.84 HRH3 (0.60) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30066472 0.84 HRH3 (0.60) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18865837 0.84 HRH3 (0.60) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17297909 0.83 CHRNB2 (0.57) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4760567 0.81 HRH3 (0.57) HRH3CHRNB2CHRNA4CHRNB4CHRNA3

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-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 — — US disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 — — US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 — — US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 — — US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 — — US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 — — US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 — — 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 (4 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-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 HRH3 1870/4885CHRNB2 3887/4885CHRNA4 3542/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D HRH3 152/4885CHRNB2 1925/4885CHRNA4 725/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 HRH3 3846/4885CHRNB2 4375/4885CHRNA4 4629/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 HRH3 1870/4885CHRNB2 3887/4885CHRNA4 3542/4885

“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.

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