SCHEMBL12050029

SCHEMBL12050029

CCc1nc2c(c(=O)[nH]1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 6/20 0.50
▸ MAPT P10636 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL18711813 0.96 HPGD (0.54) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL31128493 0.86 HPGD (0.51) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL9844062 0.83 HPGD (0.56) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL1082422 0.82 HPGD (0.55) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL6930694 0.82 HDAC6 (0.54) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL14637875 0.82 PARP1 (0.50) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL14638235 0.81 HPGD (0.51) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL9843755 0.80 HPGD (0.59) POLBHPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL14638381 0.79 PARP1 (0.54) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL17086607 0.79 HDAC6 (0.50) POLBHPGDCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 — — WO disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 — — US disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 — — US disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 — — US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 — — 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 (3 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 POLB 4407/4885HPGD 760/4885MAPT 4843/4885
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 POLB 4665/4885HPGD 740/4885MAPT 4804/4885
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 POLB 4604/4885HPGD 800/4885MAPT 4848/4885

“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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