SCHEMBL4721255

SCHEMBL4721255

CCCN(CC)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.44
HTT P42858 1/20 0.38
MAP3K5 Q99683 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1A P08908 1/20 0.35
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
IGF1R P08069 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNA5 P22460 1/20 0.32
HCAR3 P49019 2/20 0.31

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
SCHEMBL4765598 0.92 HTT (0.40) TAAR1HTTMAP3K5ALDH1A1SMN1; SMN2
SCHEMBL4268278 0.90 TAAR1 (0.47) TAAR1ALDH1A1SMN1; SMN2HTR1ACYP2D6
SCHEMBL4765814 0.89 TAAR1 (0.41) TAAR1HTTALDH1A1SMN1; SMN2HTR1A
SCHEMBL4765704 0.85 HTT (0.41) TAAR1HTTMAP3K5ALDH1A1SMN1; SMN2
SCHEMBL4723844 0.80 SMN1; SMN2 (0.42) TAAR1HTTMAP3K5ALDH1A1SMN1; SMN2
SCHEMBL4723517 0.78 TAAR1 (0.40) TAAR1HTTMAP3K5ALDH1A1SMN1; SMN2
SCHEMBL4764215 0.75
SCHEMBL1830904 0.72 TAAR1 (0.36) TAAR1ALDH1A1SMN1; SMN2HTR1ACYP2D6
SCHEMBL4724380 0.71 CYP1A2 (0.40) TAAR1HTTALDH1A1SMN1; SMN2HTR1A
SCHEMBL9212091 0.69 GRIN2D (0.36) TAAR1ALDH1A1SMN1; SMN2HTR1ACYP2D6

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 TAAR1 1382/4885HTT 2486/4885MAP3K5 3547/4885

“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.