SCHEMBL1298949

SCHEMBL1298949

FC(F)(F)c1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.70
HTR1A P08908 1/20 0.58
EBP Q15125 2/20 0.55
TMEM97 Q5BJF2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
Hydrochloric Acid SCHEMBL1299253 0.99 SIGMAR1 (0.68) SIGMAR1HTR1AEBPTMEM97ALDH1A1
SCHEMBL16024760 0.87 SLC6A3 (0.66) SIGMAR1HTR1AALDH1A1
SCHEMBL1298736 0.87 SIGMAR1 (0.67) SIGMAR1EBP
Hydrochloric Acid SCHEMBL1299589 0.86 SIGMAR1 (0.65) SIGMAR1
SCHEMBL5695484 0.84 SIGMAR1 (0.63) SIGMAR1HTR1ATMEM97ALDH1A1CYP1A2
SCHEMBL18164595 0.83 SIGMAR1 (0.61) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL3454609 0.82 SIGMAR1 (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL11383498 0.82 TAAR1 (0.65) SIGMAR1HTR1ATMEM97CYP1A2CYP3A4
SCHEMBL9378627 0.82 SIGMAR1 (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL1332739 0.82 KDM4E (0.67) SIGMAR1HTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US claimed
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 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 (3 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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885HTR1A 75/4885EBP 1084/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 SIGMAR1 1/4885HTR1A 75/4885EBP 1084/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 SIGMAR1 1/4885HTR1A 72/4885EBP 1385/4885

“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.