SCHEMBL29327258

SCHEMBL29327258

C[C@@H]1CNC[C@H](C)N1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.47
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HTR2B P41595 6/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
BMPR1A P36894 2/20 0.41
ACVR1B P36896 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
BMPR1B O00238 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL17531619 0.80 HRH3 (0.45) PLD1SMN1; SMN2KMT2APDCD1CD274
SCHEMBL26361945 0.79 PLD1 (0.47) PLD1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31264111 0.79 PLD1 (0.47) PLD1CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL1980295 0.77 PLD1 (0.46) PLD1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6855299 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL6855304 0.77 HTR2A (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL20129603 0.77 PLD1 (0.54) PLD1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL20141500 0.77 PLD1 (0.54) PLD1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL30531432 0.77 PLD1 (0.54) PLD1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL20129613 0.77 PLD1 (0.54) PLD1HTR2AHTR2CHTR2BALDH1A1

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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 PLD1 513/4885HTR2A 774/4885HTR2C 491/4885

“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.