SCHEMBL12148188

SCHEMBL12148188

CC[C@@H]1CN(C(C(=O)O)c2ccccc2)C(C)CN1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ CHRM1 P11229 2/20 0.41
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ ACE P12821 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL15958552 0.85 KDM4E (0.56) KDM4ECHRM1LMNAGAASLC6A9
SCHEMBL16556787 0.72 KDM4E (0.51) KDM4ECHRM1LMNAGAASLC6A9
SCHEMBL18526734 0.71 KDM4E (0.50) KDM4ECHRM1LMNAGAASLC6A9
SCHEMBL18902034 0.70 KDM4E (0.49) KDM4ECHRM1LMNAGAASLC6A9
SCHEMBL19701066 0.70 KDM4E (0.49) KDM4ECHRM1LMNAGAASLC6A9
SCHEMBL10263182 0.70 KDM4E (0.51) KDM4ECHRM1LMNAGAACYP2C9
SCHEMBL14879164 0.70 KDM4E (0.48) KDM4ECHRM1LMNAGAACYP2C9
SCHEMBL825143 0.70 KDM4E (0.48) KDM4ECHRM1LMNAGAACYP2C9
SCHEMBL15068256 0.69 KDM4E (0.89) KDM4ELMNAGAACYP1A2CYP3A4
SCHEMBL15067033 0.69 KDM4E (0.89) KDM4ELMNAGAACYP1A2CYP3A4

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-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-8377980-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-19 — — US disclosed
US-20110286961-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-24 — — 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 (1 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-20110286961-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KDM4E 3857/4885CHRM1 4713/4885LMNA 3159/4885

“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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