SCHEMBL18135541

SCHEMBL18135541

Cc1n[nH]c(N2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ ADRB1 P08588 6/20 0.38
▸ PDE10A Q9Y233 2/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ CASP4 P49662 1/20 0.35
▸ CASP5 P51878 1/20 0.35
▸ NCF1 P14598 3/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL18135535 0.76 HRH4 (0.46) HRH1USP2SMN1; SMN2TDP1PIM1
SCHEMBL16846204 0.76 HRH1 (0.37) HRH1USP2SMN1; SMN2TDP1PIM1
Hydrochloric Acid SCHEMBL16825844 0.74 HRH4 (0.44) HRH1USP2SMN1; SMN2TDP1PIM1
SCHEMBL28790025 0.72 ADRB1 (0.41) HRH1USP2SMN1; SMN2TDP1PIM1
SCHEMBL27699120 0.71 ADRB1 (0.41) HRH1USP2SMN1; SMN2TDP1PIM1
SCHEMBL6027662 0.68 HRH1 (0.61) HRH1USP2SMN1; SMN2TDP1ADRB1
SCHEMBL10028669 0.67 HRH1 (0.65) HRH1USP2SMN1; SMN2TDP1ADRB1
SCHEMBL16178307 0.64 ADRB1 (0.43) ADRB1CASP1CASP4CASP5NCF1
SCHEMBL30883037 0.64 HSP90AA1 (0.48) PDE10AADRB2ALDH1A1
SCHEMBL1229731 0.63 HRH1 (0.85) HRH1USP2SMN1; SMN2TDP1HTR3A

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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC HRH1 52/4885USP2 3420/4885SMN1; SMN2 4335/4885

“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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