SCHEMBL27113244

SCHEMBL27113244

N=C(N)NCc1cccc(N2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.49
▸ HTR1A P08908 4/20 0.49
▸ ADRB1 P08588 4/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ HTR3E A5X5Y0 3/20 0.47
▸ HTR3B O95264 3/20 0.47
▸ HTR3A P46098 3/20 0.47
▸ HTR3D Q70Z44 3/20 0.47
▸ HTR3C Q8WXA8 3/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ THRB P10828 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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
SCHEMBL27114131 0.84 ITGB3 (0.46) HTTPRMT6DRD2DRD3ITGB3
SCHEMBL27113249 0.84 AGXT (0.57) HTR2AHTTHTR6PRMT6ITGB3
SCHEMBL27113243 0.82 PRMT6 (0.47) HTTPRMT6ALDH1A1ITGB3ITGA2B
SCHEMBL27118870 0.81 PRMT6 (0.46) HTTPRMT6DRD2DRD3ALDH1A1
SCHEMBL27113417 0.81 PRMT6 (0.46) HTTPRMT6DRD2ITGB3ITGA2B
SCHEMBL27120294 0.81 PRMT6 (0.46) HTTHDAC4PRMT6ALDH1A1ITGB3
SCHEMBL8257575 0.79 FAAH (0.53) HTR7HTR1AADRB1HTR2CHTR3E
SCHEMBL27475990 0.76 HTR7 (0.60) HTR7HTR1AADRB1HTR2CHTR3E
SCHEMBL3204004 0.76 HTR7 (0.60) HTR7HTR1AADRB1HTR2CHTR3E
SCHEMBL27114834 0.76 HTR6 (0.51) HTR7HTR1AADRB1HTR2CHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — US disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 HTR7 2652/4885HTR1A 3683/4885ADRB1 3927/4885

“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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