SCHEMBL19239929

SCHEMBL19239929

C=C(CC(C)C)N1CCC(C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.36
▸ CCR1 P32246 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP7 P09237 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30

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
SCHEMBL19041083 0.85 GAA (0.33) ALDH1A1GAAOPRM1OPRL1
SCHEMBL18161032 0.84 GAA (0.33) ALDH1A1GAAMAPTOPRM1OPRL1
SCHEMBL20988847 0.81 PTPN1 (0.39) PTPN1CCR1KDM4ECYP2C9CYP2C19
SCHEMBL26316144 0.79 DPP4 (0.32) GAA
SCHEMBL19239928 0.79 KDM5A (0.32) POLBGAA
SCHEMBL19999715 0.78 KDM5A (0.33) POLBALDH1A1GAAMAPT
SCHEMBL9484048 0.77 POLB (0.33) PTPN1POLBNPSR1L3MBTL1ALDH1A1
SCHEMBL12384441 0.77 POLB (0.56) PTPN1KDM4ECYP2C9CYP2C19POLB
SCHEMBL681442 0.75 CPN1 (0.33) ALDH1A1
SCHEMBL15131736 0.75 LIPE (0.36) KDM4EPOLBNPSR1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 — — US disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — 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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA PTPN1 980/4885CCR1 149/4885KDM4E 1807/4885
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 PTPN1 4395/4885CCR1 1889/4885KDM4E 3407/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA PTPN1 980/4885CCR1 149/4885KDM4E 1807/4885

“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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