SCHEMBL13153192

SCHEMBL13153192

CC(C)n1cc(OCCN(C)C)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ LTA4H P09960 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MCHR1 Q99705 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SYK P43405 1/20 0.40

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
SCHEMBL13181194 0.80 MAPK14 (0.49) MAPK14HRH3LTA4HKEAP1NFE2L2
SCHEMBL20710527 0.73 KDM4E (0.48) HRH3LTA4HKEAP1NFE2L2CDK4
SCHEMBL21475878 0.73 HRH3 (0.44) HRH3
SCHEMBL21476009 0.71 BPTF (0.39) MAPK14HRH3ADORA2AADORA1
SCHEMBL84461 0.68 HRH3 (0.59) HRH3LTA4HKEAP1NFE2L2CYP1A2
SCHEMBL1797545 0.68 KMT2A (0.62) HRH3LTA4HKEAP1NFE2L2CHRNB2
SCHEMBL14464042 0.68 ALDH1A1 (0.55) HRH3LTA4HKEAP1NFE2L2CYP1A2
SCHEMBL9335025 0.68 KMT2A (0.67) HRH3CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL19231457 0.68 KDM4E (0.51) MAPK14HRH3LTA4HKEAP1NFE2L2
Hydrochloric Acid SCHEMBL11835146 0.67 KMT2A (0.65) HRH3CHRNB2CHRNA4KDM4EALDH1A1

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
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 — — US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 — — WO disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 — — US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MAPK14 2024/4885HRH3 1587/4885LTA4H 522/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPK14 2024/4885HRH3 1587/4885LTA4H 522/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 MAPK14 3043/4885HRH3 556/4885LTA4H 238/4885

“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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