SCHEMBL6793135

SCHEMBL6793135

O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
HRH4 Q9H3N8 2/20 0.60
TSHR P16473 3/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL2735943 0.86 HRH4 (0.70) KMT2AMEN1MAPTHRH4TSHR
SCHEMBL16598885 0.79 HRH4 (0.73) KMT2AMEN1POLBSMN1; SMN2TP53
SCHEMBL2351433 0.77 HRH4 (0.78) KMT2AMEN1MAPTHRH4TSHR
SCHEMBL14247110 0.77 KMT2A (0.77) KMT2AMEN1MAPTHRH4KDM4E
SCHEMBL6781864 0.77 DRD2 (0.58) POLBTSHRKDM4E
SCHEMBL16598571 0.77 HRH4 (0.69) POLBMAPTHRH4LMNA
SCHEMBL603452 0.76 HRH4 (1.00) KMT2AHRH4
Hydrochloric Acid SCHEMBL6793607 0.76 DRD2 (0.57) POLBMAPTTSHRKDM4E
SCHEMBL2347252 0.76 HRH4 (0.76) KMT2AMEN1MAPTHRH4TSHR
SCHEMBL17938681 0.75 HRH4 (0.78) KMT2AMEN1HRH4TSHR

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-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine PFIZER INC 2004-10-07 US disclosed
US-20030100757-A1 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine D4 receptor PFIZER INC. 2003-05-29 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 (2 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-20030100757-A1 2-(4-aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine D4 receptor DRD2, DRD3, DRD4 KMT2A 1455/4885MEN1 4452/4885POLB 4420/4885
US-20040198734-A1 2-(4-Aryl or heteroaryl-piperazin-1-ylmethyl)-1H-indole derivatives interacting with the dopamine DRD2, DRD3, TPH1 KMT2A 994/4885MEN1 3611/4885POLB 3861/4885

“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.