SCHEMBL5363784

SCHEMBL5363784

Cc1cc(C[C@@H]2CN(Cc3ccccc3)CCN2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
DRD4 P21917 7/20 0.45
SIGMAR1 Q99720 5/20 0.45
TMEM97 Q5BJF2 3/20 0.45
TACR1 P25103 1/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MLNR O43193 3/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL27573515 1.00 LTA4H (0.51) LTA4HDRD4SIGMAR1TMEM97TACR1
SCHEMBL5372336 0.91 LTA4H (0.51) LTA4HDRD4SIGMAR1TACR1LMNA
SCHEMBL27573483 0.91 LTA4H (0.51) LTA4HDRD4SIGMAR1TACR1LMNA
SCHEMBL7826831 0.89 LTA4H (0.54) LTA4HDRD4SIGMAR1TACR1LMNA
SCHEMBL6133201 0.89 LTA4H (0.54) LTA4HDRD4SIGMAR1TACR1LMNA
SCHEMBL4289658 0.89 LTA4H (0.54) LTA4HDRD4SIGMAR1TACR1POLB
Hydrochloric Acid SCHEMBL8120467 0.88 LTA4H (0.53) LTA4HDRD4SIGMAR1TACR1LMNA
Hydrochloric Acid SCHEMBL6132478 0.88 LTA4H (0.53) LTA4HDRD4SIGMAR1TACR1LMNA
SCHEMBL22079729 0.85 DRD4 (0.38) LTA4HDRD4SIGMAR1TMEM97TACR1
SCHEMBL5370269 0.85 LTA4H (0.51) LTA4HDRD4SIGMAR1TACR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123532-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2007-05-31 US disclosed
US-7166598-B2 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases such as asthma, emesis, an anxiety disorder, pollakiuria, urinary incontinence and irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2007-01-23 US disclosed
EP-1140924-B1 PIPERAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-03-22 EP disclosed
US-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-01-19 US disclosed
CN-1152877-C Piperazine derivatives ����ҩƷ��ҵ��ʽ���� 2004-06-09 CN disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 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 (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-20060014948-A1 e.g 1-[3,5-bis(trifluoromethyl)benzoyl]-2-[3-[(2-methoxyethoxy)-methoxy]-4-methylbenzyl]-4-[2-[(3R)-3-methoxymethyl-morpholino]ethyl]piperazine; treating or preventing Tachykinin-mediated diseases in humans or animals PKD2, TAC3, PKD1 LTA4H 944/4885DRD4 1628/4885SIGMAR1 803/4885
US-20070123532-A1 PIPERAZINE DERIVATIVES PKD2, SSTR5, IL5 LTA4H 677/4885DRD4 752/4885SIGMAR1 1431/4885

“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.