SCHEMBL25531150

SCHEMBL25531150

CC(Cc1ccc(C(C)(C)C)cc1)N[C@H]1CC[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.49
▸ ACACB O00763 5/20 0.44
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.38
▸ EBP Q15125 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK3 Q00526 1/20 0.34
▸ GRIA4 P48058 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL25541881 1.00 SLC6A4 (0.49) SLC6A4ACACBTP53TSHRSIGMAR1
SCHEMBL25541896 1.00 SLC6A4 (0.49) SLC6A4ACACBTP53TSHRSIGMAR1
SCHEMBL25541894 0.92 SLC6A4 (0.55) SLC6A4ACACBTP53TSHRSIGMAR1
SCHEMBL25531111 0.85 SLC6A4 (0.50) SLC6A4ACACBTP53TSHRSIGMAR1
SCHEMBL25541864 0.85 SLC6A4 (0.52) SLC6A4ACACBSIGMAR1CCNT1CDK4
SCHEMBL22255193 0.85 SLC6A4 (0.52) SLC6A4ACACBSIGMAR1TRPV1KDM1A
SCHEMBL22254879 0.85 SLC6A4 (0.52) SLC6A4ACACBSIGMAR1TRPV1KDM1A
SCHEMBL22254877 0.85 SLC6A4 (0.52) SLC6A4ACACBSIGMAR1TRPV1KDM1A
SCHEMBL25541899 0.81 SLC6A4 (0.55) SLC6A4ACACBTP53TSHRSIGMAR1
SCHEMBL25541866 0.81 SLC6A4 (0.52) SLC6A4ACACBTP53TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 SLC6A4 3119/4885ACACB 2485/4885TP53 4099/4885

“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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